![2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine structure](/static/products/496/496018-75-8.png)
2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine
TL;DR: 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine (CAS 496018-75-8) is a chemical compound with molecular formula C12H11F3N4S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-4,6-diamine
Also Known As: 2-(3-(trifluoromethyl)benzylthio)pyrimidine-4,6-diamine, AM-807/12740531, 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-4,6-diamine, 2-{[3-(trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine, 6-amino-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinylamine
| Molecular Formula | C12H11F3N4S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.9521 |
| Topological Polar Surface Area | 77.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.06564 |
| Heavy Atoms | 20 |
| Complexity | 595.6417 |
Chemical Identifiers
| CAS Number | 496018-75-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CSC2=NC(=CC(=N2)N)N |
Product Overview
2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine (CAS 496018-75-8), with molecular formula C12H11F3N4S and molecular weight 300.07 g/mol. IUPAC: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-4,6-diamine.
Chemical Property Profile of 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine
Property Insights of 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine
The XLogP value of 2.9521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine. The TPSA of 77.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine?
The CAS number of 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine is 496018-75-8.
What is the molecular formula of 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine?
The molecular formula of 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine is C12H11F3N4S.
What is the molecular weight of 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine?
The molecular weight of 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine is 300.07 g/mol.
Where can I buy 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine?
You can request a quote for 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(Trifluoromethyl)phenyl]methylthio}pyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.